[2-(5-nonylpyrimidin-4-yl)phenyl] nonanoate

Systemtic Name: [2-(5-nonylpyrimidin-4-yl)phenyl] nonanoate Openeye Name: [2-(5-nonylpyrimidin-4-yl)phenyl] nonanoate CAS Name: nonanoic acid [2-(5-nonyl-4-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-nonylpyrimidin-4-yl)phenyl] nonanoate Traditional Name: pelargonic acid [2-(5-nonylpyrimidin-4-yl)phenyl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCCCCCCC

InChI

InChI=1S/C28H42N2O2/c1-3-5-7-9-11-12-14-18-24-22-29-23-30-28(24)25-19-16-17-20-26(25)32-27(31)21-15-13-10-8-6-4-2/h16-17,19-20,22-23H,3-15,18,21H2,1-2H3